2-Chloro-1,1-diethoxyethane

HCID 12128
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Basic information

CAS
621-62-5
Standard SMILES
CCOC(CCl)OCC
InChIKey
OVXJWSYBABKZMD-UHFFFAOYSA-N
Molecular formula
C6H13ClO2
Average molar mass
152.62 g/mol
Monoisotopic mass
152.06040734

Names & identifiers

Preferred name
2-Chloro-1,1-diethoxyethane
IUPAC
2-chloro-1,1-diethoxyethane
English name
Chloroacetaldehyde diethyl acetal
Molecular formula
C6H13ClO2
Molecular weight
152.62

Names & synonyms

Chloroacetaldehyde diethyl acetal621-62-52-CHLORO-1,1-DIETHOXYETHANEEthane, 2-chloro-1,1-diethoxy-Diethoxyethyl chloride2-Chloroacetal2-Chloroacetaldehyde diethyl acetalMonochloroacetaldehyde diethyl acetal2V59K8R7DENSC-8436DTXSID4060735RefChem:470360
Show more names
CHLOROACETALDEHYDE DIETHYL ACETAL, STAB.ETHYL CHLOROACETALDIETHYL CHLOROACETAL2-Chlor-1,1-diethoxyethan
DTXCID8043230210-695-4Chloroacetal1,1-Diethoxy-2-chloroethaneAcetaldehyde, chloro-, diethyl acetal1-chloro-2,2-diethoxyethane2-chloro-1,1-diethoxy-ethaneNSC 8436

Database identifiers

CAS
621-62-5
PubChem CID
12128
DTXSID
DTXSID4060735
ChEMBL
CHEMBL2251332
UNII
2V59K8R7DE
EC Number
210-695-4
Nikkaji
J6.833K

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Acetals
SpringerMaterials PropertiesOptical coefficient
Vapor Pressure5.0 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-45 °C · -45 °C
Boiling point
157 °C · 157 °C (lit.)
Density
1.018 g/mL · 1.018 g/mL at 25 °C (lit.)
vapor pressure
0.02 atm · <0.02 atm ( 20 °C)
refractive index
20 · n20/D 1.416(lit.)
Flash point
85 °F · 85 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Ethane, 2-chloro-1,1-diethoxy-

Status: Active Update: 09-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18419

Chloracetaldehyde diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS] See Bis(2-chloro-1-methylethyl) ether and Chloromethyl ethyl ether. See Acetal.
Peroxide Forming Chemical · 3 items

Chloroacetaldehyde diethylacetal

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F
1
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29110000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthane, 2-chloro-1,1-diethoxy-: ACTIVE

Applications

UsesChloroacetaldehyde Diethyl Acetal is a reagent for the preparation of thiopene-anthranilamides which is a highly potent and orally available factor Xa inhibitor.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京精维化工有限公司13270709979 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Related reactions

53 records
New reaction record

Compound notes

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